4-(3-bromo-4-carbamoylanilino)-2-chlorobenzoic acid

C14H10BrClN2O3 — CID 107275398

IUPAC4-(3-bromo-4-carbamoylanilino)-2-chlorobenzoic acid
SMILESNC(=O)c1ccc(Nc2ccc(C(=O)O)c(Cl)c2)cc1Br
InChIInChI=1S/C14H10BrClN2O3/c15-11-5-7(1-3-9(11)13(17)19)18-8-2-4-10(14(20)21)12(16)6-8/h1-6,18H,(H2,17,19)(H,20,21)
InChIKeyDJUPLQJGIUOUEH-UHFFFAOYSA-N
MW369.60 g/mol
LogP3.64
Rot. Bonds4

About 4-(3-bromo-4-carbamoylanilino)-2-chlorobenzoic acid

4-(3-bromo-4-carbamoylanilino)-2-chlorobenzoic acid (PubChem CID 107275398) has the molecular formula C14H10BrClN2O3 and a molecular weight of 369.60 g/mol. Its IUPAC name is 4-(3-bromo-4-carbamoylanilino)-2-chlorobenzoic acid.

Molecular Properties

Compound Name4-(3-bromo-4-carbamoylanilino)-2-chlorobenzoic acid
PubChem CID107275398
Molecular FormulaC14H10BrClN2O3
Molecular Weight369.60 g/mol
Exact Mass367.96
IUPAC Name4-(3-bromo-4-carbamoylanilino)-2-chlorobenzoic acid
SMILESNC(=O)c1ccc(Nc2ccc(C(=O)O)c(Cl)c2)cc1Br
InChIInChI=1S/C14H10BrClN2O3/c15-11-5-7(1-3-9(11)13(17)19)18-8-2-4-10(14(20)21)12(16)6-8/h1-6,18H,(H2,17,19)(H,20,21)
InChIKeyDJUPLQJGIUOUEH-UHFFFAOYSA-N
XLogP3.64
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.60
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(3-bromo-4-carbamoylanilino)-2-chlorobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid
CID 62945822
4-(3-bromo-4-carbamoylanilino)benzoic acid
CID 107275335
4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid
CID 28667151
2-chloro-4-[4-(trifluoromethyl)anilino]benzoic acid
CID 63499316
4-(4-bromoanilino)-2-chlorobenzenecarbothioamide
CID 62949118
2-bromo-4-hydrazinylbenzoic acid
CID 119017518
5-(4-bromo-2-carbamoylanilino)-2-chlorobenzoic acid
CID 114890010
3-(3-bromo-4-carbamoylanilino)-2-methylbutanoic acid
CID 107275650
2-(3-bromo-4-carbamoylanilino)-3-methylbutanoic acid
CID 107275406
3-(3-bromo-4-carbamoylanilino)propanoic acid
CID 107275324
2-(3-bromo-4-carbamoylanilino)-2-cyclopropylacetic acid
CID 107275436
5-[(2-bromo-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 103763706

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-carbamoylanilino)-2-chlorobenzoic acid?
The IUPAC name of 4-(3-bromo-4-carbamoylanilino)-2-chlorobenzoic acid (CID 107275398) is 4-(3-bromo-4-carbamoylanilino)-2-chlorobenzoic acid.
What is the SMILES notation for 4-(3-bromo-4-carbamoylanilino)-2-chlorobenzoic acid?
The canonical SMILES for 4-(3-bromo-4-carbamoylanilino)-2-chlorobenzoic acid is NC(=O)c1ccc(Nc2ccc(C(=O)O)c(Cl)c2)cc1Br.
What is the InChIKey of 4-(3-bromo-4-carbamoylanilino)-2-chlorobenzoic acid?
The InChIKey is DJUPLQJGIUOUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O3/c15-11-5-7(1-3-9(11)13(17)19)18-8-2-4-10(14(20)21)12(16)6-8/h1-6,18H,(H2,17,19)(H,20,21).
What are the key properties of 4-(3-bromo-4-carbamoylanilino)-2-chlorobenzoic acid?
4-(3-bromo-4-carbamoylanilino)-2-chlorobenzoic acid has a molecular weight of 369.60 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-carbamoylanilino)-2-chlorobenzoic acid is sourced from PubChem (CID 107275398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).